(1s 2 2s 2 2p 5 3p 1 ) 1 P P 5+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.373826 | .48554414 |
| 2 | 3p | 2.368564 | -1.12856694 |
| 3 | 4p | 6.778656 | -.07902298 |
| 4 | 2p | 10.838486 | .04222115 |
| 5 | 5p | 17.530292 | .00307248 |
| 6 | 5p | 1.371137 | -.00019674 |
| 7 | 4p | 44.148573 | -.00004150 |
| 8 | 3p | 16.277833 | .00078931 |
| ORB.ENERGY,a.u. | -2.647000 | ||
| NORM | 1.000000 | < R > | 1.568819 | < R2 > | 2.811805 | < 1/R > | .852573 | < 1/R**2 > | 1.580859 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 4.793686 | 1.23793241 |
| 2 | 3p | 5.599102 | -.32272060 |
| 3 | 2p | 11.201730 | .08064863 |
| 4 | 4p | 13.478758 | .01416303 |
| 5 | 5p | 80.436002 | .00001333 |
| 6 | 5p | 3.427378 | .00074727 |
| ORB.ENERGY,a.u. | -8.771200 | ||
| NORM | 1.000000 | < R > | .460324 | < R2 > | .261919 | < 1/R > | 2.812860 | < 1/R**2 > | 10.997937 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 12.147083 | .37106400 |
| 2 | 2s | 6.137938 | -.83300078 |
| 3 | 3s | 5.421520 | -.30260524 |
| 4 | 4s | 18.126554 | .00412414 |
| 5 | 3s | 17.292346 | .00695602 |
| 6 | 5s | 35.871280 | .00046846 |
| 7 | 5s | 4.714890 | -.00476634 |
| ORB.ENERGY,a.u. | -10.202000 | ||
| NORM | 1.000000 | < R > | .502624 | < R2 > | .298838 | < 1/R > | 2.904646 | < 1/R**2 > | 34.646422 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 14.203116 | .92364917 |
| 2 | 1s | 21.022842 | .07264986 |
| 3 | 2s | 8.579117 | .02101639 |
| 4 | 3s | 10.641135 | -.02131806 |
| 5 | 4s | 13.322700 | .01080105 |
| 6 | 5s | 35.645089 | .00072359 |
| 7 | 4s | 77.837257 | -.00004644 |
| ORB.ENERGY,a.u. | -82.286000 |
| NORM | 1.000000 | < R > | .103690 | < R2 > | .014448 | < 1/R > | 14.583522 | < 1/R**2 > | 429.058729 |
Total Energy= -328.97801000 a.u.
Kinetic Energy= 328.96173749 a.u.
Potential Energy= -657.93974749 a.u.
Virial Ratio = -2.00004947